methyl 3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
methyl 3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | F083-0166 |
| Compound Name: | methyl 3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate |
| Molecular Weight: | 499.56 |
| Molecular Formula: | C23 H21 N3 O6 S2 |
| Smiles: | COC(c1ccc2C(NC3=C(C(NCCc4ccc(c(c4)OC)OC)=O)SC(N3c2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2964 |
| logD: | 2.2964 |
| logSw: | -3.1223 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.666 |
| InChI Key: | HDXXAWQHDOODOQ-UHFFFAOYSA-N |